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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2023

Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation

Here, extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) in its most recent shadow potential energy version has been implemented in the semiempirical PyTorch-based software PySeQM. The implementation includes finite electronic temperatures, canonical density matrix perturbation theory, and an adaptive Krylov subspace approximation for the integration of the electronic equations of motion within the XL-BOMB approach (KSA-XL-BOMD). The PyTorch implementation leverages the use of GPU and machine learning hardware accelerators for the simulations. The new XL-BOMD formulation allows studying more challenging chemical systems with charge instabilities and low electronic energy gaps. The current public release of PySeQM continues our development of modular architecture for large-scale simulations employing semi-empirical quantum-mechanical treatment. Applied to molecular dynamics, simulation of 840 carbon atoms, one integration time step executes in 4 s on a single Nvidia RTX A6000 GPU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Spacecraft Data Simulator for the test of level zero processing systems

The Microelectronic Systems Branch (MSB) at Goddard Space Flight Center (GSFC) has developed a Spacecraft Data Simulator (SDS) to support the development, test, and verification of prototype and production Level Zero Processing (LZP) systems. Based on a disk array system, the SDS is capable of generating large test data sets up to 5 Gigabytes and outputting serial test data at rates up to 80 Mbps. The SDS supports data formats including NASA Communication (Nascom) blocks, Consultative Committee for Space Data System (CCSDS) Version 1 & 2 frames and packets, and all the Advanced Orbiting Systems (AOS) services. The capability to simulate both sequential and non-sequential time-ordered downlink data streams with errors and gaps is crucial to test LZP systems. This paper describes the system architecture, hardware and software designs, and test data designs. Examples of test data designs are included to illustrate the application of the SDS.

Shi, Jeff↗

NASA NTRS2019

Myco-Architecture off Planet: Growing Surface Structures at Destination

Our work focused on filling major select key technical knowledge gaps, and technical aspects to be addressed in a Phase II proposal were identified such as the secretion of glues or plastics by the fungi or bacteria to form biocomposites. Specifically, we raised the technical TRL by assessing the growth of in-house mycelial-producing strains on potential food substrates and analyzed the advantages and disadvantages to their use off planet. Growth of the mycelia on sawdust and powdered nutrients including dried, powdered algae, was used as a baseline. We measured growth as a function of temperature, tested the relevant material properties of the mycelia products produced, and measured the mass of input and output volume for production per volume of material. Mycotecture was produced in a bag simulating the proposed mission implementation. Post-production such as heat treatment (as is done with terrestrial mycotecture)was assessed.The material properties of the dried, frozen and baked mycelial outputs included density, strength,thermal insulation and flame retardation. Tensile/compression testing on biocomposite material specimens was performed to obtain three-dimensional elastic constants, as well as to examine deformation and fracture behavior. These mechanical tests were performed on both dormant and activated samples to understand the evolution of the structural material. In addition, experimental data obtained from the mechanical testing was used to build a failure prediction model that accounts for material anisotropy. This aided in future structural design through a quantitative understanding of the mechanical limits of the material. To examine the texture, defects, fracture surfaces of the material, high-resolution microstructural imaging was utilized before and after the mechanical tests. This microstructural analysis informed us about the macro-structural behavior and influenced structural design. Thermal decomposition analysis was also performed tounderstand the thermal limits.

Biocomposites↗

NASA NTRS2002

A Facility and Architecture for Autonomy Research

Autonomy is a key enabling factor in the advancement of the remote robotic exploration. There is currently a large gap between autonomy software at the research level and software that is ready for insertion into near-term space missions. The Mission Simulation Facility (MST) will bridge this gap by providing a simulation framework and suite of simulation tools to support research in autonomy for remote exploration. This system will allow developers of autonomy software to test their models in a high-fidelity simulation and evaluate their system's performance against a set of integrated, standardized simulations. The Mission Simulation ToolKit (MST) uses a distributed architecture with a communication layer that is built on top of the standardized High Level Architecture (HLA). This architecture enables the use of existing high fidelity models, allows mixing simulation components from various computing platforms and enforces the use of a standardized high-level interface among components. The components needed to achieve a realistic simulation can be grouped into four categories: environment generation (terrain, environmental features), robotic platform behavior (robot dynamics), instrument models (camera/spectrometer/etc.), and data analysis. The MST will provide basic components in these areas but allows users to plug-in easily any refined model by means of a communication protocol. Finally, a description file defines the robot and environment parameters for easy configuration and ensures that all the simulation models share the same information.

Pisanich, Greg↗

DOE OSTI2020

Medium- and Heavy-Duty Vehicle Electrification: An Assessment of Technology and Knowledge Gaps

The objective of this assessment was to leverage current medium- and heavy-duty vehicle (MHDV) data and information to evaluate the state of commercial vehicle electrification technologies, including the following: 1. Assessment and inventory of current MHDV electrification architectures; 2. Identification and assessment of MHDV component technologies; 3. Assessment of potential performance and cost drivers; and, 4. Identification of R&D gaps where appropriate R&D and technology would accelerate commercial vehicle electrification. These gaps include shortfalls in technology, gaps in data, and inadequate knowledge and understanding. To inform this study, the National Renewable Energy Laboratory–Oak Ridge National Laboratory team examined the open literature; conducted workshops; assessed and analyzed data on more than 175 electrified MHDVs, including vehicle and powertrain specifications; and conducted one-on-one meetings with industry representatives. This systems-level information was concatenated and parsed with respect to key characteristics such as battery energy, power, and range compared across vehicle classes. Operational data of many conventional vehicles were also examined to help determine the requirements on electrified vehicle attributes such as range. Previous studies on the total cost of ownership of electrified MHDVs were reviewed to determine where improvements in technologies (efficiency, cost, maintenance) were needed to accelerate adoption. The team also assessed the state of the art in electric drivetrains for component specifications and challenges for the commercial vehicle sector, including electric machines, power electronics, and off-board high-power charging systems (extreme fast charging and beyond). The goal of this analysis was to identify the barriers to widespread adoption of commercial vehicle electrification technologies and prioritize the research and development gaps that need to be overcome to accelerate significant market penetration of these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2011

Towards a State Based Control Architecture for Large Telescopes: Laying a Foundation at the VLT

Large telescopes are characterized by a high level of distribution of control-related tasks and will feature diverse data flow patterns and large ranges of sampling frequencies; there will often be no single, fixed server-client relationship between the control tasks. the architecture is also challenged by the task of integrating heterogeneous subsystems which will be delivered by multiple different contractors. Due to the high number of distributed components, the control system needs to effectively detect errors and faults, impede their propagation, and accurately mitigate them in the shortest time possible, enabling the service to be restored. The presented Data-Driven Architecture is based on a decentralized approach with an end-to-end integration of disparate, independently developed software components. These components employ a high-performance standards-based communication middle-ware infrastructure, based on the Data Distribution Service. A set of rules and principles, based on JPL's State Analysis method and architecture, are use to constrain component-to component interactions, where the Control System and System Under Control are clearly separated. State Analysis provide a model-based process for capturing system and software requirements and design, greatly reducing the gap between the requirements on software specified by systems engineers and the implementation by software engineers. The method and architecture has been field tested at the Very Large Telescope, where it has been integrated into an operational system.

European Extremely Large Telescope (E-ELT)↗

DOE OSTI2025

VISION: a modular AI assistant for natural human-instrument interaction at scientific user facilities

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an x-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instruments and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex—a synthetic extension to the cognition of scientists—may radically transform scientific practice and discovery.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Countering Weapons of Mass Destruction (CWMD) Zero Trust Framework: CWMD Zero Trust Principles Model

The research focuses on the critical need for enhanced cybersecurity within the Countering Weapons of Mass Destruction (CWMD) Office, specifically targeting Chemical, Biological, Radiological, and Nuclear devices. Traditional perimeter-based security models are insufficient against modern cyber threats, prompting a shift toward Zero Trust principles (ZTP) that emphasize continuous verification and stringent security for all devices. Federal directives mandate the adoption of Zero Trust (ZT) across agencies, supported by guidelines from National Institute of Standards and Technology (NIST), U.S. Department of Homeland Security (DHS) Cybersecurity and Infrastructure Security Agency (CISA), U.S. Department of Defense (DoD) and National Security Agency (NSA). The research involved mapping ZT guidance from these agencies to develop tailored CWMD ZTP. The study identified gaps and areas for improvement, including clear transitional guidance from traditional to ZT architectures and the focus on explicit cross cutting capabilities. Design improvements are recommended to ensure increased comprehensive protection and resilience against sophisticated cyber threats for Chemical, Biological, Radiological, and Nuclear (CBRN) devices. Collaborative efforts among federal agencies are essential for the successful deployment of an optimized ZT guidance.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2025

Gene network centrality analysis identifies key regulators coordinating day-night metabolic transitions in Synechococcus elongatus PCC 7942 despite limited accuracy in predicting direct regulator-gene interactions

Synechococcus elongatus PCC 7942 is a model organism for studying circadian regulation and bioproduction, where precise temporal control of metabolism significantly impacts photosynthetic efficiency and CO 2 -to-bioproduct conversion. Despite extensive research on core clock components, our understanding of the broader regulatory network orchestrating genome-wide metabolic transitions remains incomplete. We address this gap by applying machine learning tools and network analysis to investigate the transcriptional architecture governing circadian-controlled gene expression. While our approach showed moderate accuracy in predicting individual transcription factor-gene interactions - a common challenge with real expression data - network-level topological analysis successfully revealed the organizational principles of circadian regulation. Our analysis identified distinct regulatory modules coordinating day-night metabolic transitions, with photosynthesis and carbon/nitrogen metabolism controlled by day-phase regulators, while nighttime modules orchestrate glycogen mobilization and redox metabolism. Through network centrality analysis, we identified potentially significant but previously understudied transcriptional regulators: HimA as a putative DNA architecture regulator, and TetR and SrrB as potential coordinators of nighttime metabolism, working alongside established global regulators RpaA and RpaB. This work demonstrates how network-level analysis can extract biologically meaningful insights despite limitations in predicting direct regulatory interactions. The regulatory principles uncovered here advance our understanding of how cyanobacteria coordinate complex metabolic transitions and may inform metabolic engineering strategies for enhanced photosynthetic bioproduction from CO 2 .

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2012

Using Quality Attributes to Bridge Systems Engineering Gaps : A Juno Ground Data Systems Case Study

The Juno Mission to Jupiter is the second mission selected by the NASA New Frontiers Program. Juno launched August 2011 and will reach Jupiter July 2016. Juno's payload system is composed of nine instruments plus a gravity science experiment. One of the primary functions of the Juno Ground Data System (GDS) is the assembly and distribution of the CFDP (CCSDS File Delivery Protocol) product telemetry, also referred to as raw science data, for eight out of the nine instruments. The GDS accomplishes this with the Instrument Data Pipeline (IDP). During payload integration, the first attempt to exercise the IDP in a flight like manner revealed that although the functional requirements were well understood, the system was unable to meet latency requirements with the as-is heritage design. A systems engineering gap emerged between Juno instrument data delivery requirements and the assumptions behind the heritage flight-ground interactions. This paper describes the use of quality attributes to measure and overcome this gap by introducing a new systems engineering activity, and a new monitoring service architecture that successfully delivered the performance metrics needed to validate Juno IDP.

Ground Data Systems (GDS)↗

NASA NTRS2016

A Multi-Center Space Data System Prototype Based on CCSDS Standards

Deep space missions beyond earth orbit will require new methods of data communications in order to compensate for increasing Radio Frequency (RF) propagation delay. The Consultative Committee for Space Data Systems (CCSDS) standard protocols Spacecraft Monitor & Control (SM&C), Asynchronous Message Service (AMS), and Delay/Disruption Tolerant Networking (DTN) provide such a method. However, the maturity level of this protocol stack is insufficient for mission inclusion at this time. This Space Data System prototype is intended to provide experience which will raise the Technical Readiness Level (TRL) of this protocol set. In order to reduce costs, future missions can take advantage of these standard protocols, which will result in increased interoperability between control centers. This prototype demonstrates these capabilities by implementing a realistic space data system in which telemetry is published to control center applications at the Jet Propulsion Lab (JPL), the Marshall Space Flight Center (MSFC), and the Johnson Space Center (JSC). Reverse publishing paths for commanding from each control center are also implemented. The target vehicle consists of realistic flight computer hardware running Core Flight Software (CFS) in the integrated Power, Avionics, and Power (iPAS) Pathfinder Lab at JSC. This prototype demonstrates a potential upgrade path for future Deep Space Network (DSN) modification, in which the automatic error recovery and communication gap compensation capabilities of DTN would be exploited. In addition, SM&C provides architectural flexibility by allowing new service providers and consumers to be added efficiently anywhere in the network using the common interface provided by SM&C's Message Abstraction Layer (MAL). In FY 2015, this space data system was enhanced by adding telerobotic operations capability provided by the Robot API Delegate (RAPID) family of protocols developed at NASA. RAPID is one of several candidates for consideration and inclusion in a new international standard being developed by the CCSDS Telerobotic Operations Working Group. Software gateways for the purpose of interfacing RAPID messages with the existing SM&C based infrastructure were developed. Telerobotic monitor, control, and bridge applications were written in the RAPID framework, which were then tailored to the NAO telerobotic test article hardware, a product of Aldebaran Robotics.

Rich, Thomas M.↗

NASA NTRS2019

NASA Electronic Parts and Packaging (NEPP) Program Status and Technology Investments Overview

The presentation provides an updated, high-level overview of the NEPP Program. The latest organizational chart is presented that shows the names of the Program and Assistant Program Managers. Additionally, the recent work that is on-going with the updating of several NASA NPDs, NPRs and technical standards is reviewed. Internal and external organizational interfaces are described. Finally, the current technology focus areas are described. These areas include passives, wide-band gap power devices, processor units (CPUs and GPUs), 2.5D and 3D device architectures, memories, and data analytics.

NEPAG↗

NASA NTRSDate not supplied

SOLL-E: A Module Transport and Placement Robot for Autonomous Assembly of Discrete Lattice Structures

This paper presents the design and development of a transport and placement robot that demonstrates autonomous assembly of structural building blocks. The robots are intended to serve as a critical component of automated structural assembly and maintenance systems. The Scaling Omni-directional Lattice Locomoting Explorer (SOLL-E) uses a 5-DoF bipedal inchworm locomotion architecture with locking foot and cargo grippers. The locomotion system employs large magnet gap diameter BLDC motors with moderate timing belt gearing for primary joints, and DC planetary gearmotors for turning. Foot and cargo grippers are identical, with servo-actuated locking mechanisms. Three modular controller boards are used to control these actuators in real-time, with command and telemetry data transferred between the server and each controller board via WiFi. Functionality and performance were evaluated in a ground demonstration.

robotics↗

NASA NTRS2014

NASA Laboratory Analysis for Manned Exploration Missions

The Exploration Laboratory Analysis (ELA) project supports the Exploration Medical Capability Element under the NASA Human Research Program. ELA instrumentation is identified as an essential capability for future exploration missions to diagnose and treat evidence-based medical conditions. However, mission architecture limits the medical equipment, consumables, and procedures that will be available to treat medical conditions during human exploration missions. Allocated resources such as mass, power, volume, and crew time must be used efficiently to optimize the delivery of in-flight medical care. Although commercial instruments can provide the blood and urine based measurements required for exploration missions, these commercial-off-the-shelf devices are prohibitive for deployment in the space environment. The objective of the ELA project is to close the technology gap of current minimally invasive laboratory capabilities and analytical measurements in a manner that the mission architecture constraints impose on exploration missions. Besides micro gravity and radiation tolerances, other principal issues that generally fail to meet NASA requirements include excessive mass, volume, power and consumables, and nominal reagent shelf-life. Though manned exploration missions will not occur for nearly a decade, NASA has already taken strides towards meeting the development of ELA medical diagnostics by developing mission requirements and concepts of operations that are coupled with strategic investments and partnerships towards meeting these challenges. This paper focuses on the remote environment, its challenges, biomedical diagnostics requirements and candidate technologies that may lead to successful blood-urine chemistry and biomolecular measurements in future space exploration missions.

Laboratory Analysis↗

NASA NTRS2014

NASA Laboratory Analysis for Manned Exploration Missions

The Exploration Laboratory Analysis (ELA) project supports the Exploration Medical Capability Element under the NASA Human Research Program. ELA instrumentation is identified as an essential capability for future exploration missions to diagnose and treat evidence-based medical conditions. However, mission architecture limits the medical equipment, consumables, and procedures that will be available to treat medical conditions during human exploration missions. Allocated resources such as mass, power, volume, and crew time must be used efficiently to optimize the delivery of in-flight medical care. Although commercial instruments can provide the blood and urine based measurements required for exploration missions, these commercial-off-the-shelf devices are prohibitive for deployment in the space environment. The objective of the ELA project is to close the technology gap of current minimally invasive laboratory capabilities and analytical measurements in a manner that the mission architecture constraints impose on exploration missions. Besides micro gravity and radiation tolerances, other principal issues that generally fail to meet NASA requirements include excessive mass, volume, power and consumables, and nominal reagent shelf-life. Though manned exploration missions will not occur for nearly a decade, NASA has already taken strides towards meeting the development of ELA medical diagnostics by developing mission requirements and concepts of operations that are coupled with strategic investments and partnerships towards meeting these challenges. This paper focuses on the remote environment, its challenges, biomedical diagnostics requirements and candidate technologies that may lead to successful blood/urine chemistry and biomolecular measurements in future space exploration missions. SUMMARY The NASA Exploration Laboratory Analysis project seeks to develop capability to diagnose anticipated space exploration medical conditions on future manned missions. To achieve this goal, NASA will leverage existing point-of-care technology to provide clinical laboratory measurements in space. This approach will place the project on a path to minimize sample, reagent consumption, mass, volume and power. For successful use in the space environment, NASA specific conditions such as micro gravity and radiation, for example, will also need to be addressed.

Exploration Medical Capability↗

DOE OSTI2025

Defensive Cybersecurity Architecture Design Using Force-on-Force Cyber-Physical Modeling

Currently, nuclear power plant physical security systems are highly dependent on air-gaps as a protective measure against cyber-threats. Cyber-physical threats become more likely as advanced cyber-threat capabilities to jump air-gaps transition into common use. Defending against the emerging threat of cyber-enabled physical intrusions is poorly understood. The consequence of these cyber-physical attacks has no quantitative analysis method to inform risk-informed, performance-based cybersecurity approaches. By modifying the physical security simulation tool Dante, cyber-physical threat consequence was able to be analyzed on a notional facility. The results of this analysis are used to design a Defensive Cybersecurity Architecture (DCSA) for the physical security system to produce example resilience measures for this notional facility. A DCSA defines security levels to provide a graded approach for defending plant functions, and security zones for trusted communication between systems. This approach can be applied to real world systems to produce physical protection systems and response measures that are resilient to cyber-physical threats.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2024

3D Quantification of Pore Networks and Anthropogenic Carbon Mineralization in Stacked Basalt Reservoirs

Basalt formations are promising candidates for the geologic storage of anthropogenic CO 2 due to their storage capacity, porosity, permeability, and reactive geochemical trapping ability. The Wallula Basalt Carbon Storage Pilot Project demonstrated that supercritical CO 2 injected into >800 m deep Columbia River Basalt Group stacked reservoir flow tops mineralizes to ankerite-siderite-aragonite on month-year timescales, with 60% of the 977 metric tonnes of CO 2 converted within two years. The potential impacts of mineral precipitation and consequent changes on rock porosity, pore structure, pore size, and pore size distributions have likely been underestimated hitherto. Herein, we address these knowledge gaps using X-ray Micro Computed Tomography (XMT) to evaluate the pore network architecture of sidewall cores recovered two years after CO 2 injection. In the present study, we performed a detailed quantitative analysis of the CO 2 -reacted basalt cores by XMT imaging. Reconstructed 3D images were analyzed to study the distribution and volumetric details of porosity and carbonate nodules in the cores along with the various other phases, providing insight into paragenesis and carbonate growth mechanisms, including mineralogic/chemical zonation. Finally, these findings are being used to parametrize multiphase reactive transport models to predict the fate and transport of subsurface CO 2 , enabling scale-up to commercial-scale geologic carbon storage in basalts and other reactive mafic-ultramafic formations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Efficient Probabilistic Computing with Stochastic Perovskite Nickelates

Probabilistic computing has emerged as a viable approach to solve hard optimization problems. Devices with inherent stochasticity can greatly simplify their implementation in electronic hardware. In this report we demonstrate intrinsic stochastic resistance switching controlled via electric fields in perovskite nickelates doped with hydrogen. The ability of hydrogen ions to reside in various metastable configurations in the lattice leads to a distribution of transport gaps. With experimentally characterized p-bits, a shared-synapse p-bit architecture demonstrates highly parallelized and energy-efficient solutions to optimization problems such as integer factorization and Boolean satisfiability. The results introduce perovskite nickelates as scalable potential candidates for probabilistic computing and showcase the potential of light-element dopants in next-generation correlated semiconductors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗